Table 1.
The estimated energy binding for the betanin compound versus the Bcl2 receptor.
| Energy Components (kcal/mol) | |||||
|---|---|---|---|---|---|
| Protein Complex | ΔEvdW | ΔEelec | ΔGgas | ΔGsolv | ΔGbind |
| Betanin-Bcl2 | −42.42 ± 0.36 | −152.86 ± 1.63 | −195.28 ± 1.61 | 154.34 ± 1.37 | −40.94 ± 0.42 |
∆EvdW = van der Waals energy; ∆Eele = electrostatic energy; ΔGgas = the change in the Gibbs free energy of the gas; ∆Gsolv = solvation free energy; ∆Gbind = calculated total binding free energy.